2-prop-2-enoxyprop-2-enylsulfonylbenzene

C12H14O3S — CID 12808968

IUPAC2-prop-2-enoxyprop-2-enylsulfonylbenzene
SMILESC=CCOC(=C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H14O3S/c1-3-9-15-11(2)10-16(13,14)12-7-5-4-6-8-12/h3-8H,1-2,9-10H2
InChIKeyHIJWISVYLZCRIM-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.18
Rot. Bonds6

About 2-prop-2-enoxyprop-2-enylsulfonylbenzene

2-prop-2-enoxyprop-2-enylsulfonylbenzene (PubChem CID 12808968) has the molecular formula C12H14O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-prop-2-enoxyprop-2-enylsulfonylbenzene.

Molecular Properties

Compound Name2-prop-2-enoxyprop-2-enylsulfonylbenzene
PubChem CID12808968
Molecular FormulaC12H14O3S
Molecular Weight238.31 g/mol
Exact Mass238.07
IUPAC Name2-prop-2-enoxyprop-2-enylsulfonylbenzene
SMILESC=CCOC(=C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H14O3S/c1-3-9-15-11(2)10-16(13,14)12-7-5-4-6-8-12/h3-8H,1-2,9-10H2
InChIKeyHIJWISVYLZCRIM-UHFFFAOYSA-N
XLogP2.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-Propen-1-ylsulfonyl)benzene
CID 85330
Ethyl (phenylsulphonyl)acetate
CID 82078
1,1-Dioxo-3-2,3-dihydrothienyl benzenesulfonate
CID 2831158
Methoxymethyl Phenyl Sulfone
CID 366072
Sulfone, 2-acetoxypropyl phenyl
CID 538760
2-(Phenylsulfonyl)ethanol
CID 30202
2-(Benzenesulfonyl)ethyl prop-2-enoate
CID 44377390
Phenylsulfonylacetone
CID 735827
2-(Benzenesulfonyl)ethyl acetate
CID 44377376
2-(2-(Phenylsulfonyl)ethyl)oxirane
CID 11356304
Phenyl 3-butenyl sulfone
CID 10867248
2-[(Phenylsulfonyl)methyl]oxirane
CID 11356071

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxyprop-2-enylsulfonylbenzene?
The IUPAC name of 2-prop-2-enoxyprop-2-enylsulfonylbenzene (CID 12808968) is 2-prop-2-enoxyprop-2-enylsulfonylbenzene.
What is the SMILES notation for 2-prop-2-enoxyprop-2-enylsulfonylbenzene?
The canonical SMILES for 2-prop-2-enoxyprop-2-enylsulfonylbenzene is C=CCOC(=C)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-prop-2-enoxyprop-2-enylsulfonylbenzene?
The InChIKey is HIJWISVYLZCRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3S/c1-3-9-15-11(2)10-16(13,14)12-7-5-4-6-8-12/h3-8H,1-2,9-10H2.
What are the key properties of 2-prop-2-enoxyprop-2-enylsulfonylbenzene?
2-prop-2-enoxyprop-2-enylsulfonylbenzene has a molecular weight of 238.31 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxyprop-2-enylsulfonylbenzene is sourced from PubChem (CID 12808968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).